2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide

C13H19N3O3S — CID 60859149

IUPAC2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-3-1-2-11(6-12)8-16-13(17)9-15-7-10-4-5-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17)(H2,14,18,19)
InChIKeyXWULLHRRBKTJAL-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.05
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide

2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 60859149) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
PubChem CID60859149
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-3-1-2-11(6-12)8-16-13(17)9-15-7-10-4-5-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17)(H2,14,18,19)
InChIKeyXWULLHRRBKTJAL-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
2-(3-methylazetidin-3-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 102611378
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide (CID 60859149) is 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1cccc(CNC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is XWULLHRRBKTJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-20(18,19)12-3-1-2-11(6-12)8-16-13(17)9-15-7-10-4-5-10/h1-3,6,10,15H,4-5,7-9H2,(H,16,17)(H2,14,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide?
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 60859149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).